[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate

C11H13N3O5S — CID 175278982

IUPAC[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N3O5S/c1-7(2)10(15)19-14-11(16)13-8-3-5-9(6-4-8)20(12,17)18/h3-6H,1H2,2H3,(H2,12,17,18)(H2,13,14,16)
InChIKeyYIQMOUCUTALBOL-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.49
Rot. Bonds3

About [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate

[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate (PubChem CID 175278982) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
PubChem CID175278982
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N3O5S/c1-7(2)10(15)19-14-11(16)13-8-3-5-9(6-4-8)20(12,17)18/h3-6H,1H2,2H3,(H2,12,17,18)(H2,13,14,16)
InChIKeyYIQMOUCUTALBOL-UHFFFAOYSA-N
XLogP0.49
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
CID 108914242
2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 59017101
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
1-[1-[[amino(methyl)amino]methylideneamino]ethenyl]-3-(4-sulfamoylphenyl)urea
CID 66664417
dimethyl (E)-2-(4-sulfamoylanilino)but-2-enedioate
CID 168565932

Frequently Asked Questions

What is the IUPAC name of [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate?
The IUPAC name of [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate (CID 175278982) is [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate.
What is the SMILES notation for [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate?
The canonical SMILES for [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate is C=C(C)C(=O)ONC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate?
The InChIKey is YIQMOUCUTALBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-7(2)10(15)19-14-11(16)13-8-3-5-9(6-4-8)20(12,17)18/h3-6H,1H2,2H3,(H2,12,17,18)(H2,13,14,16).
What are the key properties of [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate?
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate has a molecular weight of 299.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate is sourced from PubChem (CID 175278982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).